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Chemical ID: 4256965
Chemical ID:
4256965
Name [?]:
4-amino-N-benzothiazol-2-yl-benzamide
SMILES [?]:
c1ccc2c(c1)nc(s2)NC(=O)c3ccc(cc3)N
InChi [?]:
InChI=1/C14H11N3OS/c15-10-7-5-9(6-8-10)13(18)17-14-16-11-3-1-2-4-12(11)19-14/h1-8H,15H2,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,18,15,17,13,16,5,4,11,8,19,7,10,12,9/E:(5,6)(7,8)/rA:19nCCCCCCNCSNCOCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11N3OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06101 |
Area: | 451.713 |
Solvation: | -2.23183 |
Coulombic: | -45.1888 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 269.323 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.09 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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